2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride

C14H19ClN2O2 — CID 120990520

IUPAC2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CC2(CC2)c2ccccc21.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-18-8-11(15)13(17)16-9-14(6-7-14)10-4-2-3-5-12(10)16;/h2-5,11H,6-9,15H2,1H3;1H
InChIKeyDMXFKSBBFSANSS-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride

2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride (PubChem CID 120990520) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
PubChem CID120990520
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride
SMILESCOCC(N)C(=O)N1CC2(CC2)c2ccccc21.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-18-8-11(15)13(17)16-9-14(6-7-14)10-4-2-3-5-12(10)16;/h2-5,11H,6-9,15H2,1H3;1H
InChIKeyDMXFKSBBFSANSS-UHFFFAOYSA-N
XLogP1.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride (CID 120990520) is 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride is COCC(N)C(=O)N1CC2(CC2)c2ccccc21.Cl.
What is the InChIKey of 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride?
The InChIKey is DMXFKSBBFSANSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-18-8-11(15)13(17)16-9-14(6-7-14)10-4-2-3-5-12(10)16;/h2-5,11H,6-9,15H2,1H3;1H.
What are the key properties of 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride?
2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-1-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120990520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).